| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/emb/ |
| H A D | c2vt1_s.F | 1 SUBROUTINE c2vt1_s(a_i0,d_v2,d_x2,k_v2_offset,k_x2_offset,t_h1b,t_ argument
520 SUBROUTINE tvx2(a_i0,d_v2,d_x2,k_v2_offset,k_x2_offset,t_h1b,t_h2b argument
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| H A D | c1v.F | 1 SUBROUTINE c1v(a_i0,d_v2,d_x1,k_v2_offset,k_x1_offset,t_h1b,t_h2b, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/emb/ |
| H A D | c2vt1_s.F | 1 SUBROUTINE c2vt1_s(a_i0,d_v2,d_x2,k_v2_offset,k_x2_offset,t_h1b,t_ argument
520 SUBROUTINE tvx2(a_i0,d_v2,d_x2,k_v2_offset,k_x2_offset,t_h1b,t_h2b argument
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| H A D | c1v.F | 1 SUBROUTINE c1v(a_i0,d_v2,d_x1,k_v2_offset,k_x1_offset,t_h1b,t_h2b, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_t/ |
| H A D | ccsd_t_singles.F | 1 SUBROUTINE ccsd_t_singles(a_i0,d_t1,d_v2,k_t1_offset,k_v2_offset,t argument
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| H A D | ccsd_t_doubles.F | 1 SUBROUTINE ccsd_t_doubles(a_i0,d_t2,d_v2,k_t2_offset,k_v2_offset,t argument
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| H A D | ccsd2_q.F | 2 1 d_v2,k_v2_offset,d_y2,k_y2_offset, argument
19 integer k_v2_offset local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/gradients/ |
| H A D | wdm_hh_mo_d.F | 1 SUBROUTINE wdm_hh_mo_d(d_i0,d_v2,d_z1,k_i0_offset,k_v2_offset,k_z1 argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_t/ |
| H A D | ccsd_t_singles.F | 1 SUBROUTINE ccsd_t_singles(a_i0,d_t1,d_v2,k_t1_offset,k_v2_offset,t argument
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| H A D | ccsd2_q_left.F | 1 SUBROUTINE ccsd2_q_left(a_i0,d_v2,d_y2,k_v2_offset,k_y2_offset,t_h argument
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| H A D | ccsd_t_doubles.F | 1 SUBROUTINE ccsd_t_doubles(a_i0,d_t2,d_v2,k_t2_offset,k_v2_offset,t argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/gradients/ |
| H A D | wdm_hh_mo_d.F | 1 SUBROUTINE wdm_hh_mo_d(d_i0,d_v2,d_z1,k_i0_offset,k_v2_offset,k_z1 argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/cr_eomccsd_t_act/ |
| H A D | ccsd_t_d_act.F | 1 SUBROUTINE ccsd_t_d_act(a_i0,d_t2,d_v2,k_t2_offset,k_v2_offset,t argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/cr_eomccsd_t_act/ |
| H A D | ccsd_t_d_act.F | 1 SUBROUTINE ccsd_t_d_act(a_i0,d_t2,d_v2,k_t2_offset,k_v2_offset,t argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/mrcc/uss/ |
| H A D | ccsd_r3.F | 1 SUBROUTINE ccsd_r3(a_i0,d_t2,d_v2,k_t2_offset,k_v2_offset,t_h1b,t_ argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/cr-eomccsd_t/ |
| H A D | cr_s_m3.F | 1 SUBROUTINE cr_s_m3(a_i0,d_v2,d_x2,k_v2_offset,k_x2_offset,t_h1b,t_ argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/mrcc/uss/ |
| H A D | ccsd_r3.F | 1 SUBROUTINE ccsd_r3(a_i0,d_t2,d_v2,k_t2_offset,k_v2_offset,t_h1b,t_ argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/cr-eomccsd_t/ |
| H A D | cr_s_m3.F | 1 SUBROUTINE cr_s_m3(a_i0,d_v2,d_x2,k_v2_offset,k_x2_offset,t_h1b,t_ argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | cc2_energy.F | 7 1 k_e_offset,k_f1_offset,k_v2_offset, argument
23 integer k_t2_offset,k_v2_offset local
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| H A D | ccsd_energy_loc.F | 2 1 k_e_offset,k_f1_offset,k_v2_offset, argument
21 integer k_t2_offset,k_v2_offset local
246 1 k_e_offset,k_f1_offset,k_v2_offset, argument
263 integer k_t2_offset,k_v2_offset local
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| H A D | tce_ccsd_lambda_perturbative.F | 4 & d_f1,k_f1_offset,d_v2,k_v2_offset) argument
46 integer k_v2_offset ! Offset for 2e integral file local
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| H A D | ccsd_lr_alpha.F | 3 2 k_d0_offset,k_a0_offset,k_f1_offset,k_v2_offset, argument
28 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
155 2 k_f1_offset,k_v2_offset,k_d1_offset, argument
176 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
329 2 k_a0_offset,k_f1_offset,k_v2_offset,k_d1_offset, argument
349 integer k_a0_offset,k_f1_offset,k_v2_offset,k_d1_offset(3) local
660 1 k_f1_offset,k_v2_offset,k_d1_offset, argument
675 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
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| H A D | ccsd_imaginary.F | 3 2 k_a0_offset,k_f1_offset,k_v2_offset,k_d1_offset, argument
258 2 k_f1_offset,k_v2_offset,k_d1_offset, argument
284 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
469 2 k_f1_offset,k_v2_offset,k_d1_offset, argument
492 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
684 2 k_f1_offset,k_v2_offset,k_d1_offset, argument
709 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
864 2 k_f1_offset,k_v2_offset,k_d1_offset, argument
889 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
1063 integer k_f1_offset,k_v2_offset,k_d1_offset(3) local
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsdt_lambda/ |
| H A D | ccsdt_lambda1.F | 1 SUBROUTINE ccsdt_lambda1(d_f1,d_i0,d_t1,d_t2,d_t3,d_v2,d_y1,d_y2,d
238 INTEGER k_v2_offset local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_beta/ |
| H A D | beta_1.F | 1 SUBROUTINE beta_1(d_i0,d_t1,d_tra1,d_tra2,d_trb1,d_trb2,d_trc1,d_t
134 INTEGER k_v2_offset local
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